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4-[2-ethylsulfanylethyl-(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]benzoic acid

4-[2-ethylsulfanylethyl-(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]benzoic acid

Systemtic Name:4-[2-ethylsulfanylethyl-(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]benzoic acid
Openeye Name:4-[2-ethylsulfanylethyl-(2-hydroxy-1-methyl-2-oxo-ethyl)amino]benzoic acid
CAS Name:4-[2-(ethylthio)ethyl-(1-hydroxy-1-oxopropan-2-yl)amino]benzoic acid
IUPAC Name:4-[2-ethylsulfanylethyl-(1-hydroxy-1-oxopropan-2-yl)amino]benzoic acid
Traditional Name:4-[2-(ethylthio)ethyl-(2-hydroxy-2-keto-1-methyl-ethyl)amino]benzoic acid
Formula: C14H19NO4S
MolecularWeight: 297.36996
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Descriptors Computed from Structure

Canonical SMILES:

CCSCCN(C1=CC=C(C=C1)C(=O)O)C(C)C(=O)O


Isomeric SMILES

CCSCCN(C1=CC=C(C=C1)C(=O)O)C(C)C(=O)O


InChI

InChI=1S/C14H19NO4S/c1-3-20-9-8-15(10(2)13(16)17)12-6-4-11(5-7-12)14(18)19/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)(H,18,19)


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